NPS 2390 - Moligand™, 10 mM in DMSO , CAS No.226878-01-9

CAS: 226878-01-9 Cat. No.: N1494443 Formula: C₁₉H₂₁N₃O Peso molecolare: 307.39

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Protected from light,Argon charged,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

NPS 2390 is a noncompetitive antagonist of mGluR1 and mGluR5. NPS 2390 is also a potent CaSR (calcium-sensing receptor) inhibitor .

Specifications

Specifiche e purezza

Moligand™, 10 mM in DMSO

Condizioni di conservazione di stoccaggio

Protected from light,Argon charged,Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ANTAGONIST

Nomi e identificatori

• Isomeri SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC5=CC=CC=C5N=C4
• CAS alternativo: 226878-01-9
• Termini MeSH: 2-quinoxaline-carboxamide-N-adamantan-1-yl;NPS 2390;NPS-2390;NPS2390
• Peso molecolare: 307.39
• Reaxy-Rn: 14014785
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14014785&ln=

Application Protocols

No tested applications or recommended dilutions are specified for this item. The following are general, non–item-specific suggestions for small-molecule ligands in discovery assays.

• Stock solution: Dissolve in anhydrous DMSO to 10–50 mM (or the highest fully soluble concentration). Filter through 0.2 µm PTFE if needed.
• Working solutions: Serially dilute in DMSO, then spike into assay buffer/media to achieve target concentrations with uniform vehicle (% v/v) across wells.
• Controls: Include vehicle-only controls, and where possible, a mechanistically distinct reference compound.
• Light sensitivity: Use amber vials/plates and minimize exposure times.
• Data integrity: Record batch/lot, exact stock concentration, and freeze–thaw count. Verify concentration by qNMR or LC-UV when feasible.

Note: For any specialized application (e.g., SPR, ITC, electrophysiology), follow instrument- and assay-specific best practices and confirm compound solubility/stability under those conditions.

Biological Roles

Biological function and target specificity for this item are not specified in the provided data. The product is categorized as a small-molecule research ligand (Moligand™), implying use in exploratory biological studies.

Potential roles in research workflows (general guidance)

• Target engagement studies: Assess binding to proteins or receptors using biophysical assays (SPR, MST, ITC) when a target is known internally.
• Pathway interrogation: Apply in cellular assays to probe signaling cascades; confirm on-target effects with orthogonal assays and, where possible, structurally unrelated controls.
• Structure–activity relationship (SAR): Use as a reference in SAR matrices when analogs are available in your library.

Controls and validation

• Validate potency and selectivity under your assay conditions; published potencies and selectivity (if any) may not translate across systems. For this item, literature values are not included here; consult internal references or the CoA.
• Monitor compound stability (hydrolysis, photolysis, oxidation) during incubation—light protection and inert atmosphere in storage suggest sensitivity.

Disclaimer

• For research use only. No medical, diagnostic, or clinical applications are implied.

Buffer Applications

This item is a research ligand rather than a buffering agent. No dedicated buffer system or pH-range specifications are provided.

Practical notes (general)

• When preparing assay dilutions, use a validated biological buffer (e.g., PBS, HBSS, HEPES, or assay-specific media) and introduce the compound via a DMSO or ethanol stock to the desired final percentage.
• Check for precipitation upon dilution into aqueous buffers; if observed, increase the proportion of co-solvent within assay tolerance or use solubilizing aids compatible with your assay (e.g., cyclodextrins, surfactants at low ppm), validating for interference.
• Maintain consistent vehicle concentration across control and treatment conditions.

Green Alternatives

Green chemistry considerations are typically framed for solvents and bulk reagents. For a specialized discovery ligand supplied in milligram-scale, the main opportunities are in handling and formulation rather than replacing the compound.

Greener practice suggestions (general)

• Minimize DMSO usage by preparing higher-concentration master stocks and performing accurate micro-dilutions to reduce solvent waste.
• Prefer ethanol/water systems where compatible with solubility and assay, recognizing potential changes in permeability and assay interference.
• Use microscale assay formats (384/1536-well) to curtail chemical consumption and waste generation.
• Implement closed, inert storage with reliable inventory tracking to prevent discard due to repeated freeze–thaw degradation.

Comparison (contextual)

• Replacing a specific ligand with a “greener” analog is generally not feasible without altering biological profile. Instead, prioritize:
  • Greener co-solvents and buffers when compatible.
  • Energy-efficient cold storage practices (consolidated −80 °C units, defrost cycles, proper gasket maintenance).
  • Recyclable consumables (glass vials over certain plastics), mindful of adsorption.

Note: No item-specific greener substitute is proposed because the compound’s structure and role are not specified in the provided data.

Pharmaceutical Uses

No pharmacopeial status or excipient/formulation role is provided for this material. It is supplied strictly for research use only.

Context for R&D environments (general)

• Can serve as a reference or tool compound during early discovery screening, hit validation, or mechanism studies.
• If used to inform developability assessments, evaluate solubility, permeability, and chemical stability using preformulation-style experiments. These assessments are for research decisions only and are not equivalent to GMP characterization.

Regulatory note

• This product is not intended for human or veterinary use, diagnostic procedures, or as an API/excipient. No compendial monograph (USP/EP/JP) or Grade is claimed beyond Moligand™. Item-specific specs such as residual solvents, heavy metals, or bioburden are not specified; refer to CoA/Spec Sheet if required for your internal quality standards.

Physical Properties

Item-specific physicochemical constants are not provided with this listing. Where values are critical, consult the CoA or request the Specification Sheet.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
• Density (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
• LogP / logD (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
• pKa (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable to solids; for liquids: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet. General practice for discovery ligands is dissolution in anhydrous DMSO for primary stock, then dilution into assay buffer/medium as needed.

Notes for experimental planning (general)

• If lyophilized or as a solid, prepare gravimetrically and verify concentration by UV-Vis only if a validated extinction coefficient is available; otherwise prefer quantitative NMR (qNMR) or LC-UV with external standards.
• Record temperature/humidity during weighing if the compound is hygroscopic (status not specified; verify on CoA).

Quality and Grades

• Grade/Purity designation: Moligand™

What Moligand™ typically signifies (general catalog context)

• Denotes a small-molecule ligand intended for research screening and chemical biology workflows (e.g., assay development, target engagement studies). It emphasizes suitability for discovery applications rather than bulk process chemistry.
• While many screening ligands are supplied at high purity suitable for bioassays and analytical work, the exact purity, residual solvents, water content, and elemental/metals limits are not specified for this item; refer to CoA/Spec Sheet.

Quality control considerations (practical guidance)

• Request and retain the batch-specific CoA documenting identity (NMR/HRMS), chromatographic purity (HPLC/UPLC), and where available water/residual solvent data (KF/GC).
• If low UV background is needed (e.g., LC-UV detection), verify UV cutoff/absorbance profile in the CoA or by in-house scan before use. Value for this item: Not specified.
• For bioassays, consider endotoxin and microbial burden requirements; such attributes are typically not controlled for chemical ligands unless stated. For this item: Not specified.

Implications for use

• The −80 °C, light-protected, argon storage suggests sensitivity to thermal degradation, photooxidation, and/or air/moisture; handle accordingly.
• If you require orthogonal purity criteria (qNMR assay, chiral purity), confirm availability or perform in-house testing.

Reaction and Applications

This product is positioned as a research ligand within a small-molecule library rather than a synthetic reagent. No specific chemical reactivity or transformation applications are provided.

Applicable use cases (discovery/assay context)

• Biochemical and cellular screening: Evaluate target engagement, pathway modulation, or phenotypic outcomes in vitro. Exact target class and mechanism: Not specified for this item.
• Assay development: Positive/negative control exploration, establishing dynamic range, and validating readouts such as fluorescence, luminescence, or label-free modalities.
• Biophysical methods: Test binding by SPR, MST, ITC, or DSF where solubility and stability permit.

Not typically applicable

• This item is not described as a building block, catalyst, or solvent; therefore, topics such as cross-coupling, protection/deprotection, or stoichiometric reagent roles are not applicable here.

Practical notes

• Maintain consistent DMSO content across assay wells to mitigate vehicle effects.
• Confirm compound stability under assay conditions (exposure to light, temperature cycles, aqueous buffers). Use LC-MS to monitor degradation if needed.
• For light-sensitive materials, employ amberware and limit exposure during liquid handling.

Reaction Conditions

Not applicable: This item is not supplied as a synthetic reagent, and no reaction chemistry or processing conditions are specified.

If handling in solution (general lab practices)

• Prepare concentrated DMSO stocks under inert atmosphere if sensitivity is suspected; store aliquots at −80 °C, protected from light.
• For any exploratory transformations you may attempt internally, establish conditions only after obtaining full structural information and assessing functional group compatibility. No literature or item-specific conditions are provided here.

Safety and Handling

Safety data specific to this item are not provided in the current product record. Always review the official SDS before handling.

• GHS Classification, Signal Word, H-Statements, Pictograms: Not specified for this item; refer to SDS.
• Primary storage directives (from Product Data):
  • Store at −80 °C
  • Protect from light
  • Argon charged (maintain inert atmosphere)
• Shipping condition: Dry ice packs + cold packs (keep frozen upon receipt; do not leave at ambient).

General laboratory precautions for research ligands

• Work in a fume hood or containment appropriate to volatility/dust potential.
• Wear lab coat, gloves (nitrile recommended), safety glasses; avoid skin contact and inhalation.
• Prevent moisture/oxygen exposure if the vial is inerted; recap promptly and purge headspace with argon after use when feasible.
• Avoid contact with oxidizers, strong acids/bases, or reactive metals until compatibility is known (actual incompatibilities: Not specified; check SDS).

First-aid overview (general)

• Inhalation: Move to fresh air; seek medical attention if symptoms persist.
• Skin/eye contact: Rinse with water for ≥15 minutes; remove contaminated clothing.
• Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel.

Waste handling

• Collect in organic solid or halogenated/non-halogenated solvent waste as appropriate to your dissolution medium; follow institutional hazardous waste protocols.

Solvent Selection

Item-specific solubility and polarity data are not provided. The following guidance is general for small-molecule research ligands.

• Primary stock preparation: Anhydrous DMSO is the most common vehicle for discovery ligands due to broad solvency and assay compatibility at ≤0.1–1% v/v final.
• Alternative vehicles: Depending on functional groups, consider DMF, NMP, ethanol, or water with co-solvent. Without structural data, confirm experimentally.
• Aqueous work: If aqueous solubility is unknown, prepare a DMSO stock and dilute into buffer with vigorous mixing; maintain final DMSO below assay tolerance.
• Inert handling: Given the argon-charged storage, use dry, deoxygenated solvents and minimize headspace oxygen/water.

Quick comparison (general)

• DMSO: highest solvency; potential assay interference at higher %.
• DMF/NMP: strong solvents; consider cytotoxicity and extraction of plastics; use glass vials.
• EtOH/MeOH: greener, but lower solvency for lipophilic analytes.

Practical tips

• Filter stocks (0.2 µm PTFE) if particles persist; avoid adsorption losses by using low-bind plastics or glass.
• Record actual achieved concentration by UV or qNMR where possible; nominal gravimetric values can deviate if hygroscopic/solvate forms are present (not specified for this item).

Storage and Reconstitution

Authoritative item-specific directives (from Product Data)

• Storage: Store at −80 °C, protected from light, and under argon.
• Shipping: Dispatched on dry ice packs + cold packs; keep frozen upon receipt.

Best practices (general for small-molecule ligands)

• Upon receipt, allow the sealed vial to equilibrate to room temperature in a desiccator before opening to prevent condensation. If the vial is frost-covered, warm in a sealed bag with desiccant.
• If multiple uses are anticipated, aliquot under inert gas into low-dead-volume, amber glass vials. Minimize headspace and re-purge with argon before freezing.
• Avoid repeated freeze–thaw cycles; track usage with an aliquot log.

Reconstitution guidance (non–item-specific)

• Prepare a concentrated DMSO stock (e.g., 10–50 mM) using anhydrous solvent. If solubility is limited, consider DMF or ethanol, validating assay compatibility.
• For aqueous applications, dilute the organic stock into buffer with vigorous mixing; inspect for precipitation. If needed, gently warm or sonicate briefly, avoiding prolonged exposure to light.

Stability notes

• Item-specific stability, hygroscopicity, and photolysis rates are not specified for this item; refer to CoA/Spec Sheet. Perform a small-scale pilot to verify stability under your exact conditions.

Structure and Identity

Concise identity summary for rapid catalog verification.

• SKU: N1494443
• Product Name: NPS 2390
• CAS: 226878-01-9
• PubChem CID: 7067728
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Synonyms / Chemical Name: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general notes)

• Item-specific 2D/3D structure and functional groups are not provided in the current data package. Consult the certificate of analysis (CoA) or the product specification sheet for definitive structural descriptors and stereochemical information.
• Category context: listed under “小分子和化合物库” (small molecules and compound libraries), indicating a small-molecule research ligand supplied for screening/discovery workflows.

How to confirm identity in the lab (general guidance)

• Use HRMS, 1H/13C NMR, and HPLC/UPLC purity profiling against a reference spectrum from the CoA/Spec Sheet.
• If a structure is provided in your internal documentation, consider FTIR as a rapid orthogonal check (functional group confirmation).

Synthetic Utility

No synthetic role is described for this product, and structure-specific reactivity information is not provided. It is not positioned as a building block, reagent, or catalyst.

General guidance if derivatization is contemplated in a research setting

• Without a disclosed structure, routine transformations (e.g., N-alkylation/acylation, cross-coupling, oxidation/reduction) cannot be advised. Obtain structural details and functional-group map from the CoA or internal records before planning chemistry.
• If analog generation is desired, consider late-stage diversification only after verifying stability to proposed conditions and the absence of interfering protecting groups or sensitive motifs (e.g., nitroso, diazo, peroxide-prone moieties).

Recommendation

• Treat this item as a finished reference ligand. For synthetic campaigns, procure or design well-annotated building blocks with known functional handles instead.

Target Specificity

Target, mechanism of action, selectivity panel, and binding constants are not specified for this product entry.

• If your internal program associates NPS 2390 with a defined target, document assay conditions, Kd/IC50/EC50, and selectivity counterscreens locally.
• For publication or data packages, include batch identifiers and link results to the specific CoA for traceability.